Ketcher 02061713412D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:88493

> <NAME>
leukotriene B5

> <DEFINITION>
A leukotriene composed of (6Z,8E,10E,14Z,17Z)-icosapentaenoic acid carrying (5S)- and (12R)-hydroxy substituents.

> <STAR>
3

> <SYNONYM>
LTB5; 5,12-DiHEPE; (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-6,8,10,14,17-Eicosapentaenoic acid

> <IUPAC_NAME>
(5S,6Z,8E,10E,12R,14Z,17Z)-5,12-dihydroxyicosa-6,8,10,14,17-pentaenoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.451

> <MONOISOTOPIC_MASS>
334.21441

> <CHARGE>
0

> <SMILES>
O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C/C=C\C/C=C\CC

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1

> <INCHIKEY>
BISQPGCQOHLHQK-HDNPQISLSA-N

> <CAS_REGISTRY_NUMBER>
80445-66-5

> <CHEMIDPLUS>
80445-66-5

> <PUBMED_CITATION>
1320339; 1335056; 1647650; 19685375; 2160190; 2167697; 22959773; 2437212; 24507968; 2563604; 26771963; 2836122; 2852812; 2983350; 2996057; 3025936; 6091668; 6318749; 6321468; 6326200; 8415805

$$$$